N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C20H26N8 — CID 111741529

IUPACN'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-n2ccnc2C)nc1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C20H26N8/c1-15-22-7-9-28(15)19-5-4-16(10-23-19)11-24-20(21-2)27-8-6-17(14-27)18-12-25-26(3)13-18/h4-5,7,9-10,12-13,17H,6,8,11,14H2,1-3H3,(H,21,24)
InChIKeyNDJWKSPDCWVBAQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.87
Rot. Bonds4

About N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111741529) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111741529
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC NameN'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-n2ccnc2C)nc1)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C20H26N8/c1-15-22-7-9-28(15)19-5-4-16(10-23-19)11-24-20(21-2)27-8-6-17(14-27)18-12-25-26(3)13-18/h4-5,7,9-10,12-13,17H,6,8,11,14H2,1-3H3,(H,21,24)
InChIKeyNDJWKSPDCWVBAQ-UHFFFAOYSA-N
XLogP1.87
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111741528
3-benzyl-N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111724887
N'-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143930
N',3,3-trimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111738840
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111740624
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741455
N-[(4-cyanophenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743426
N'-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742173
N-[(3,4-dimethoxyphenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742659
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743102
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111740481
N'-methyl-3-(1-methylpyrazol-4-yl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111742729

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111741529) is N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is C/N=C(\NCc1ccc(-n2ccnc2C)nc1)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is NDJWKSPDCWVBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-15-22-7-9-28(15)19-5-4-16(10-23-19)11-24-20(21-2)27-8-6-17(14-27)18-12-25-26(3)13-18/h4-5,7,9-10,12-13,17H,6,8,11,14H2,1-3H3,(H,21,24).
What are the key properties of N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 378.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111741529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).